3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione

C19H16N4O3 — CID 10247132

IUPAC3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccn1
InChIInChI=1S/C19H16N4O3/c24-10-4-9-23-11-13(12-5-3-8-21-17(12)23)15-16(19(26)22-18(15)25)14-6-1-2-7-20-14/h1-3,5-8,11,24H,4,9-10H2,(H,22,25,26)
InChIKeyJJJNHLRRZOKWQA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.38
Rot. Bonds5

About 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione

3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione (PubChem CID 10247132) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione
PubChem CID10247132
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccn1
InChIInChI=1S/C19H16N4O3/c24-10-4-9-23-11-13(12-5-3-8-21-17(12)23)15-16(19(26)22-18(15)25)14-6-1-2-7-20-14/h1-3,5-8,11,24H,4,9-10H2,(H,22,25,26)
InChIKeyJJJNHLRRZOKWQA-UHFFFAOYSA-N
XLogP1.38
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione (CID 10247132) is 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccn1.
What is the InChIKey of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione?
The InChIKey is JJJNHLRRZOKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-10-4-9-23-11-13(12-5-3-8-21-17(12)23)15-16(19(26)22-18(15)25)14-6-1-2-7-20-14/h1-3,5-8,11,24H,4,9-10H2,(H,22,25,26).
What are the key properties of 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione has a molecular weight of 348.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 10247132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).